2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide

C20H23F2N3O3 — CID 45223637

IUPAC2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F)C(C)C
InChIInChI=1S/C20H23F2N3O3/c1-11(2)18(25-13(4)26)19(27)24-10-14-6-5-9-23-20(14)28-15-8-7-12(3)16(21)17(15)22/h5-9,11,18H,10H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyDSOYRBMPVIQPPB-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.24
Rot. Bonds7

About 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide

2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide (PubChem CID 45223637) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
PubChem CID45223637
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F)C(C)C
InChIInChI=1S/C20H23F2N3O3/c1-11(2)18(25-13(4)26)19(27)24-10-14-6-5-9-23-20(14)28-15-8-7-12(3)16(21)17(15)22/h5-9,11,18H,10H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyDSOYRBMPVIQPPB-UHFFFAOYSA-N
XLogP3.24
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 17395399
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56742548
(2S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxy-3-methylbutanamide
CID 95219679
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
2-fluoro-N-[1-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692739
(2R)-2-amino-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 56759225
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
CID 42197705
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
CID 25299461
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide (CID 45223637) is 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide is CC(=O)NC(C(=O)NCc1cccnc1Oc1ccc(C)c(F)c1F)C(C)C.
What is the InChIKey of 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide?
The InChIKey is DSOYRBMPVIQPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-11(2)18(25-13(4)26)19(27)24-10-14-6-5-9-23-20(14)28-15-8-7-12(3)16(21)17(15)22/h5-9,11,18H,10H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide?
2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide has a molecular weight of 391.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 45223637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).